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CAS 116710-50-0

:

5-(BENZOTHIAZOL-2-YLSULFANYLMETHYL)-4-PHENYL-4H-[1,2,4]TRIAZOLE-3-THIOL

Description:
5-(Benzothiazol-2-ylsulfanylmethyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol, with the CAS number 116710-50-0, is a chemical compound characterized by its complex structure, which includes a triazole ring, a benzothiazole moiety, and a thiol functional group. This compound typically exhibits properties associated with both heterocyclic and aromatic compounds, contributing to its potential biological activity. The presence of the thiol group suggests it may participate in redox reactions and form disulfide bonds, which can be significant in biochemical processes. Additionally, the benzothiazole and triazole components may impart unique electronic properties, making it of interest in medicinal chemistry and materials science. Its solubility and stability can vary depending on the solvent and environmental conditions, which is crucial for its application in various fields, including pharmaceuticals and agrochemicals. Overall, this compound's structural features suggest potential utility in drug development and other chemical applications, although specific biological activities would require further investigation.
Formula:C16H12N4S3
InChI:InChI=1/C16H12N4S3/c21-15-19-18-14(20(15)11-6-2-1-3-7-11)10-22-16-17-12-8-4-5-9-13(12)23-16/h1-9H,10H2,(H,19,21)
SMILES:c1ccc(cc1)n1c(CSc2nc3ccccc3s2)nnc1S
Synonyms:
  • 3H-1,2,4-Triazole-3-thione, 5-[(2-benzothiazolylthio)methyl]-2,4-dihydro-4-phenyl-
  • 4H-1,2,4-triazole-3-thiol, 5-[(2-benzothiazolylthio)methyl]-4-phenyl-
  • 5-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
  • 5-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
  • 5-(Benzothiazol-2-ylsulfanylmethyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol
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